1-[3-(4-azanyl-7-propan-2-yl-pyrrolo[2,3-d]pyrimidin-5-yl)carbonylphenyl]-3-(3-ethylphenyl)urea

Systemtic Name: 1-[3-(4-azanyl-7-propan-2-yl-pyrrolo[2,3-d]pyrimidin-5-yl)carbonylphenyl]-3-(3-ethylphenyl)urea Openeye Name: 1-[3-(4-amino-7-isopropyl-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-(3-ethylphenyl)urea CAS Name: 1-[3-[(4-amino-7-propan-2-yl-5-pyrrolo[2,3-d]pyrimidinyl)-oxomethyl]phenyl]-3-(3-ethylphenyl)urea IUPAC Name: 1-[3-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-(3-ethylphenyl)urea Traditional Name: 1-[3-(4-amino-7-isopropyl-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-(3-ethylphenyl)urea Formula: C25H26N6O2 MolecularWeight: 442.51294

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)NC2=CC=CC(=C2)C(=O)C3=CN(C4=C3C(=NC=N4)N)C(C)C

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)NC2=CC=CC(=C2)C(=O)C3=CN(C4=C3C(=NC=N4)N)C(C)C

InChI

InChI=1S/C25H26N6O2/c1-4-16-7-5-9-18(11-16)29-25(33)30-19-10-6-8-17(12-19)22(32)20-13-31(15(2)3)24-21(20)23(26)27-14-28-24/h5-15H,4H2,1-3H3,(H2,26,27,28)(H2,29,30,33)